2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C11H13ClFNO — CID 9317159

IUPAC2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCl
InChIInChI=1S/C11H13ClFNO/c1-2-14(11(15)7-12)8-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3
InChIKeyRWKMWGAZGHLOAP-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.41
Rot. Bonds4

About 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 9317159) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID9317159
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCl
InChIInChI=1S/C11H13ClFNO/c1-2-14(11(15)7-12)8-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3
InChIKeyRWKMWGAZGHLOAP-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9072690
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110881844
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 51314639
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 9317159) is 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is RWKMWGAZGHLOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-14(11(15)7-12)8-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 229.68 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9317159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).